N-[4-(octanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: N-[4-(octanoylcarbamothioylamino)phenyl]benzamide Openeye Name: N-[4-(octanoylcarbamothioylamino)phenyl]benzamide CAS Name: N-[4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-(octanoylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[4-(caprylylthiocarbamoylamino)phenyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-2-3-4-5-9-12-20(26)25-22(28)24-19-15-13-18(14-16-19)23-21(27)17-10-7-6-8-11-17/h6-8,10-11,13-16H,2-5,9,12H2,1H3,(H,23,27)(H2,24,25,26,28)